Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.
Authors of publication
Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
Journal of publication
Dalton transactions (Cambridge, England : 2003)
Year of publication
2014
Journal volume
43
Journal issue
4
Pages of publication
1651 - 1662
a
16.7931 ± 0.0008 Å
b
10.2527 ± 0.0004 Å
c
17.3649 ± 0.0008 Å
α
90°
β
101.923 ± 0.004°
γ
90°
Cell volume
2925.3 ± 0.2 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
6
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.0836
Residual factor for significantly intense reflections
0.0397
Weighted residual factors for significantly intense reflections
0.0808
Weighted residual factors for all reflections included in the refinement
0.0878
Goodness-of-fit parameter for all reflections included in the refinement
